smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]n(-c2cc(S(=O)(=O)[O-])ccc2Cl)c(=O)c1NN=C1C(=O)C=C(S(=O)(=O)[O-])c2ccccc21 ZINC000169328939 562858397 /nfs/dbraw/zinc/85/83/97/562858397.db2.gz FZGDXEPCWCAONO-GHVJWSGMSA-N -2 2 538.947 3.895 1 10 KHCFLL